(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol

C16H22N2O2 — CID 79000441

IUPAC(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2ccn(C(C)C)n2)c1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-8-7-14(17-18)10-20-16-9-12(3)5-6-15(16)13(4)19/h5-9,11,13,19H,10H2,1-4H3/t13-/m0/s1
InChIKeyZXSQYJLJMLLCBY-ZDUSSCGKSA-N
MW274.36 g/mol
LogP3.40
Rot. Bonds5

About (1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol

(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 79000441) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
PubChem CID79000441
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCc1ccc([C@H](C)O)c(OCc2ccn(C(C)C)n2)c1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-8-7-14(17-18)10-20-16-9-12(3)5-6-15(16)13(4)19/h5-9,11,13,19H,10H2,1-4H3/t13-/m0/s1
InChIKeyZXSQYJLJMLLCBY-ZDUSSCGKSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-fluoro-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 107720241
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CID 66152313
N-methyl-1-[5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 64771069
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155
1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773584
(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 102946545
1-(4-methyl-2-prop-2-enoxyphenyl)ethanol
CID 63651849
1-[2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-4-methylphenyl]ethanol
CID 82888130
(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79001134
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol
CID 63650922
(1S)-1-[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 79013751
1-(2-methoxy-4-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 106791641

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol (CID 79000441) is (1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol is Cc1ccc([C@H](C)O)c(OCc2ccn(C(C)C)n2)c1.
What is the InChIKey of (1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is ZXSQYJLJMLLCBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-8-7-14(17-18)10-20-16-9-12(3)5-6-15(16)13(4)19/h5-9,11,13,19H,10H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 274.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79000441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).